Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
3ST
3ST
表記:1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide
組成式:C19 H30 N6 O3
SMILES:O=C2N(c1nc(n(c1C(=O)N2C)CCC(C)C)CN3CCC(C(=O)N)CC3)C
InChi:InChI=1S/C19H30N6O3/c1-12(2)5-10-25-14(11-24-8-6-13(7-9-24)16(20)26)21-17-15(25)18(27)23(4)19(28)22(17)3/h12-13H,5-11H2,1-4H3,(H2,20,26)
定義日:2014-10-21
最終更新日:2015-02-06
公開日:2015-02-11
識別子（ID）:1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide
3TQ
3TQ
表記:N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide
組成式:C24 H29 N3 O3 S
SMILES:O=S(c1ccc(cc1)CNC(=O)c3oc2cnccc2c3)C4CCN(CC(C)C)CC4
InChi:InChI=1S/C24H29N3O3S/c1-17(2)16-27-11-8-21(9-12-27)31(29)20-5-3-18(4-6-20)14-26-24(28)22-13-19-7-10-25-15-23(19)30-22/h3-7,10,13,15,17,21H,8-9,11-12,14,16H2,1-2H3,(H,26,28)/t31-/m1/s1
定義日:2014-10-27
最終更新日:2015-02-06
公開日:2015-02-11
識別子（ID）:N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide
3U5
3U5
表記:5-[3-(quinolin-3-yl)-2H-indazol-5-yl]-1,3-thiazol-2-amine
組成式:C19 H13 N5 S
SMILES:n1cc(sc1N)c5cc4c(c2cc3ccccc3nc2)nnc4cc5
InChi:InChI=1S/C19H13N5S/c20-19-22-10-17(25-19)12-5-6-16-14(8-12)18(24-23-16)13-7-11-3-1-2-4-15(11)21-9-13/h1-10H,(H2,20,22)(H,23,24)
定義日:2014-10-30
最終更新日:2015-02-06
公開日:2015-02-11
識別子（ID）:5-[3-(quinolin-3-yl)-2H-indazol-5-yl]-1,3-thiazol-2-amine
3U6
3U6
表記:6-[5-(5-amino-1,3,4-thiadiazol-2-yl)-1H-indol-3-yl]-N-cyclopentylpyridin-2-amine
組成式:C20 H20 N6 S
SMILES:n1nc(sc1c2cc3c(cc2)ncc3c5nc(NC4CCCC4)ccc5)N
InChi:InChI=1S/C20H20N6S/c21-20-26-25-19(27-20)12-8-9-16-14(10-12)15(11-22-16)17-6-3-7-18(24-17)23-13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2,(H2,21,26)(H,23,24)
定義日:2014-10-30
最終更新日:2015-02-06
公開日:2015-02-11
識別子（ID）:6-[5-(5-amino-1,3,4-thiadiazol-2-yl)-1H-indol-3-yl]-N-cyclopentylpyridin-2-amine
3XG
3XG
表記:ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate
組成式:C21 H25 N3 O3 S2
SMILES:O=C(OCC)CSC2=Nc1c4c(sc1C(=O)N2CCCN3CCCC3)cccc4
InChi:InChI=1S/C21H25N3O3S2/c1-2-27-17(25)14-28-21-22-18-15-8-3-4-9-16(15)29-19(18)20(26)24(21)13-7-12-23-10-5-6-11-23/h3-4,8-9H,2,5-7,10-14H2,1H3
定義日:2014-12-04
最終更新日:2015-02-06
公開日:2015-02-11
識別子（ID）:ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate
3YR
3YR
表記:2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide
組成式:C19 H16 F2 N4 O2 S
SMILES:Fc1c(c(F)ccc1)c2nc(cs2)C(=O)Nc4c(OC3CCNC3)ccnc4
InChi:InChI=1S/C19H16F2N4O2S/c20-12-2-1-3-13(21)17(12)19-25-15(10-28-19)18(26)24-14-9-23-7-5-16(14)27-11-4-6-22-8-11/h1-3,5,7,9-11,22H,4,6,8H2,(H,24,26)/t11-/m0/s1
定義日:2014-12-10
最終更新日:2015-02-06
公開日:2015-02-11
識別子（ID）:2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide
7P0
7P0
表記:N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide
組成式:C28 H24 Cl N7 O4
SMILES:O=C2Nc1ccc(cc1C(O)=C2)C(=O)NC(C(=O)NCCc3cc(Cl)ccc3n4nnnc4)Cc5ccccc5
InChi:InChI=1S/C28H24ClN7O4/c29-20-7-9-24(36-16-31-34-35-36)18(13-20)10-11-30-28(40)23(12-17-4-2-1-3-5-17)33-27(39)19-6-8-22-21(14-19)25(37)15-26(38)32-22/h1-9,13-16,23H,10-12H2,(H,30,40)(H,33,39)(H2,32,37,38)/t23-/m0/s1
定義日:2014-02-26
最終更新日:2015-02-06
公開日:2015-02-11
識別子（ID）:N-[(2S)-1-({2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]ethyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide
3A4
3A4
表記:(2S)-2-({[(3S,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal
組成式:C29 H34 N4 O2
SMILES:O=CC(NCC3N(C(=O)c2ccc(c1ccccc1)cc2)CC4CCCCC4C3)Cc5cncn5
InChi:InChI=1S/C29H34N4O2/c34-19-27(15-26-16-30-20-32-26)31-17-28-14-24-8-4-5-9-25(24)18-33(28)29(35)23-12-10-22(11-13-23)21-6-2-1-3-7-21/h1-3,6-7,10-13,16,19-20,24-25,27-28,31H,4-5,8-9,14-15,17-18H2,(H,30,32)/t24-,25-,27-,28-/m0/s1
定義日:2014-07-15
最終更新日:2015-02-06
公開日:2015-02-11
識別子（ID）:(2S)-2-({[(3S,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal
3CR
3CR
表記:(2E)-2-(hydroxyimino)-3-phenylpropanoic acid
組成式:C9 H9 N O3
SMILES:O=C(O)C(=NO)Cc1ccccc1
InChi:InChI=1S/C9H9NO3/c11-9(12)8(10-13)6-7-4-2-1-3-5-7/h1-5,13H,6H2,(H,11,12)/b10-8+
定義日:2014-07-30
最終更新日:2015-02-06
公開日:2015-02-11
識別子（ID）:(2E)-2-(hydroxyimino)-3-phenylpropanoic acid
3DY
3DY
表記:3,6-anhydro-beta-L-galactopyranose
組成式:C6 H10 O5
SMILES:OC2OC1C(O)C(OC1)C2O
InChi:InChI=1S/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6-/m0/s1
定義日:2014-07-29
最終更新日:2015-02-06
公開日:2015-02-11
識別子（ID）:3,6-anhydro-beta-L-galactopyranose
3H8
3H8
表記:3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide
組成式:C23 H19 Cl N6 O2
SMILES:Clc1ccccc1NC(=O)Nc2cn(nc2)c4cccc(C(=O)Nc3ccnc(c3)C)c4
InChi:InChI=1S/C23H19ClN6O2/c1-15-11-17(9-10-25-15)27-22(31)16-5-4-6-19(12-16)30-14-18(13-26-30)28-23(32)29-21-8-3-2-7-20(21)24/h2-14H,1H3,(H,25,27,31)(H2,28,29,32)
定義日:2014-08-19
最終更新日:2015-02-06
公開日:2015-02-11
識別子（ID）:3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide
3HJ
3HJ
表記:N-(2-methylpyridin-4-yl)-3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide
組成式:C23 H20 N6 O2
SMILES:O=C(Nc1ccnc(c1)C)c2cccc(c2)n3ncc(c3)NC(=O)Nc4ccccc4
InChi:InChI=1S/C23H20N6O2/c1-16-12-19(10-11-24-16)26-22(30)17-6-5-9-21(13-17)29-15-20(14-25-29)28-23(31)27-18-7-3-2-4-8-18/h2-15H,1H3,(H,24,26,30)(H2,27,28,31)
定義日:2014-08-19
最終更新日:2015-02-06
公開日:2015-02-11
識別子（ID）:N-(2-methylpyridin-4-yl)-3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide
3HN
3HN
表記:3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide
組成式:C23 H19 F N6 O2
SMILES:Fc1ccc(cc1)NC(=O)Nc2cn(nc2)c4cccc(C(=O)Nc3ccnc(c3)C)c4
InChi:InChI=1S/C23H19FN6O2/c1-15-11-19(9-10-25-15)27-22(31)16-3-2-4-21(12-16)30-14-20(13-26-30)29-23(32)28-18-7-5-17(24)6-8-18/h2-14H,1H3,(H,25,27,31)(H2,28,29,32)
定義日:2014-08-19
最終更新日:2015-02-06
公開日:2015-02-11
識別子（ID）:3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide
3HQ
3HQ
表記:3-(4-{[(4-methylphenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide
組成式:C24 H22 N6 O2
SMILES:O=C(Nc1ccnc(c1)C)c2cccc(c2)n3ncc(c3)NC(=O)Nc4ccc(cc4)C
InChi:InChI=1S/C24H22N6O2/c1-16-6-8-19(9-7-16)28-24(32)29-21-14-26-30(15-21)22-5-3-4-18(13-22)23(31)27-20-10-11-25-17(2)12-20/h3-15H,1-2H3,(H,25,27,31)(H2,28,29,32)
定義日:2014-08-19
最終更新日:2015-02-06
公開日:2015-02-11
識別子（ID）:3-(4-{[(4-methylphenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide
3KM
3KM
表記:3-({(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}oxy)benzenecarboximidamide
組成式:C27 H33 N5 O4 S
SMILES:O=C(N1CCC(CCN)CC1)C(NS(=O)(=O)c3cc2ccccc2cc3)COc4cc(C(=[N@H])N)ccc4
InChi:InChI=1S/C27H33N5O4S/c28-13-10-19-11-14-32(15-12-19)27(33)25(18-36-23-7-3-6-22(16-23)26(29)30)31-37(34,35)24-9-8-20-4-1-2-5-21(20)17-24/h1-9,16-17,19,25,31H,10-15,18,28H2,(H3,29,30)/t25-/m0/s1
定義日:2014-09-04
最終更新日:2015-02-06
公開日:2015-02-11
識別子（ID）:3-({(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}oxy)benzenecarboximidamide
41K
41K
表記:(2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid
組成式:C6 H9 N O4 S
SMILES:O=C(O)C1(SCC(C(=O)O)N1)C
InChi:InChI=1S/C6H9NO4S/c1-6(5(10)11)7-3(2-12-6)4(8)9/h3,7H,2H2,1H3,(H,8,9)(H,10,11)/t3-,6+/m0/s1
定義日:2015-01-13
最終更新日:2015-02-06
公開日:2015-02-11
識別子（ID）:(2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid
43N
43N
表記:2-(3-chlorophenoxy)-6-(ethylamino)-4-[(R)-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl](phenyl)methyl]benzoic acid
組成式:C32 H33 Cl N4 O5
SMILES:O=C(O)c2c(NCC)cc(cc2Oc1cccc(Cl)c1)C(c3ccccc3)N5CCCC(N4C=C(C(=O)NC4=O)C)C5
InChi:InChI=1S/C32H33ClN4O5/c1-3-34-26-15-22(16-27(28(26)31(39)40)42-25-13-7-11-23(33)17-25)29(21-9-5-4-6-10-21)36-14-8-12-24(19-36)37-18-20(2)30(38)35-32(37)41/h4-7,9-11,13,15-18,24,29,34H,3,8,12,14,19H2,1-2H3,(H,39,40)(H,35,38,41)/t24-,29+/m0/s1
定義日:2015-01-29
最終更新日:2015-02-06
公開日:2015-02-11
識別子（ID）:2-(3-chlorophenoxy)-6-(ethylamino)-4-[(R)-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl](phenyl)methyl]benzoic acid
6GS
6GS
表記:2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate)
組成式:C10 H15 F N2 O11 P2
SMILES:O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(F)(C2O)C
InChi:InChI=1S/C10H15FN2O11P2/c1-10(11)7(15)5(4-22-26(20,21)24-25(17,18)19)23-8(10)13-3-2-6(14)12-9(13)16/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
定義日:2014-10-30
最終更新日:2015-02-06
公開日:2015-02-11
識別子（ID）:2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate)
EOI
EOI
表記:[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-sulfanyl-phosphoryl] phosphono hydrogen phosphate
組成式:C9 H16 N5 O9 P3 S
SMILES:C[CH](Cn1cnc2c(N)ncnc12)OC[P](S)(=O)O[P](O)(=O)O[P](O)(O)=O
InChi:InChI=1S/C9H16N5O9P3S/c1-6(2-14-4-13-7-8(10)11-3-12-9(7)14)21-5-24(15,27)22-26(19,20)23-25(16,17)18/h3-4,6H,2,5H2,1H3,(H,15,27)(H,19,20)(H2,10,11,12)(H2,16,17,18)/t6-,24-/m1/s1
定義日:2014-01-31
最終更新日:2015-02-06
公開日:2015-02-11
識別子（ID）:[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-sulfanyl-phosphoryl] phosphono hydrogen phosphate
E29
E29
表記:(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoic acid
組成式:C10 H7 Cl N4 O2
SMILES:O=C(O)C=Cc1cc(Cl)ccc1n2nnnc2
InChi:InChI=1S/C10H7ClN4O2/c11-8-2-3-9(15-6-12-13-14-15)7(5-8)1-4-10(16)17/h1-6H,(H,16,17)/b4-1+
定義日:2014-02-26
最終更新日:2015-02-06
公開日:2015-02-11
識別子（ID）:(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoic acid
E30
E30
表記:4-(1H-tetrazol-5-yl)aniline
組成式:C7 H7 N5
SMILES:n1nnnc1c2ccc(N)cc2
InChi:InChI=1S/C7H7N5/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,8H2,(H,9,10,11,12)
定義日:2014-02-26
最終更新日:2015-02-06
公開日:2015-02-11
識別子（ID）:4-(1H-tetrazol-5-yl)aniline
ILL
ILL
表記:4-(aminomethyl)-6-chloroquinolin-2(1H)-one
組成式:C10 H9 Cl N2 O
SMILES:Clc2ccc1c(C(=CC(=O)N1)CN)c2
InChi:InChI=1S/C10H9ClN2O/c11-7-1-2-9-8(4-7)6(5-12)3-10(14)13-9/h1-4H,5,12H2,(H,13,14)
定義日:2014-02-26
最終更新日:2015-02-06
公開日:2015-02-11
識別子（ID）:4-(aminomethyl)-6-chloroquinolin-2(1H)-one
J4X
J4X
表記:6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide
組成式:C22 H18 N6 O
SMILES:O=C(Nc1ccccc1)c4cc(Nc2ncccn2)c3cc(C(=[N@H])N)ccc3c4
InChi:InChI=1S/C22H18N6O/c23-20(24)15-8-7-14-11-16(21(29)27-17-5-2-1-3-6-17)13-19(18(14)12-15)28-22-25-9-4-10-26-22/h1-13H,(H3,23,24)(H,27,29)(H,25,26,28)
定義日:2014-02-26
最終更新日:2015-02-06
公開日:2015-02-11
識別子（ID）:6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide
N1Y
N1Y
表記:2-chloro-5-{[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine
組成式:C10 H11 Cl N4 O2
SMILES:[O-][N+](=O)/C=C1NCCN1Cc2cnc(Cl)cc2
InChi:InChI=1S/C10H11ClN4O2/c11-9-2-1-8(5-13-9)6-14-4-3-12-10(14)7-15(16)17/h1-2,5,7,12H,3-4,6H2/b10-7+
定義日:2014-04-21
最終更新日:2015-01-30
公開日:2015-02-04
識別子（ID）:2-chloro-5-{[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine
N2Y
N2Y
表記:(2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine
組成式:C9 H11 Cl N4
SMILES:Clc1ncc(cc1)CN2C(=[N@H])NCC2
InChi:InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)
定義日:2014-04-21
最終更新日:2015-01-30
公開日:2015-02-04
識別子（ID）:(2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine

223532

件を2024-08-07に公開中

PDB statisticsPDBj update infoContact PDBjnumon